![1-[(2-Nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine structure](/static/products/4399/439945-72-9.webp)
1-[(2-Nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
TL;DR: 1-[(2-Nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine (CAS 439945-72-9) is a chemical compound with molecular formula C21H27N3O5 and molecular weight 401.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
Also Known As: 1-[(2-nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine, 1-(2-nitrobenzyl)-4-(2,4,5-trimethoxybenzyl)piperazine
| Molecular Formula | C21H27N3O5 |
|---|---|
| Molecular Weight | 401.20 g/mol |
| LogP | 2.9384 |
| Topological Polar Surface Area | 77.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.19507 |
| Heavy Atoms | 29 |
| Complexity | 850.2054 |
Chemical Identifiers
| CAS Number | 439945-72-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1CN2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-])OC)OC |
Product Overview
1-[(2-Nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine (CAS 439945-72-9), with molecular formula C21H27N3O5 and molecular weight 401.20 g/mol. IUPAC: 1-[(2-nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine.
Chemical Property Profile of 1-[(2-Nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
Property Insights of 1-[(2-Nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
The XLogP value of 2.9384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-Nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine. The TPSA of 77.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2-Nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine. Following Lipinski's Rule of Five, 1-[(2-Nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[(2-Nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
The CAS number of 1-[(2-Nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine is 439945-72-9.
What is the molecular formula of 1-[(2-Nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
The molecular formula of 1-[(2-Nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine is C21H27N3O5.
What is the molecular weight of 1-[(2-Nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
The molecular weight of 1-[(2-Nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine is 401.20 g/mol.
Where can I buy 1-[(2-Nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
You can request a quote for 1-[(2-Nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2-Nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-Nitrophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.